⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL4598253 | 0.93 | EPHX1 (0.37) | — | |
| Sulfuric Acid SCHEMBL22367546 | 0.92 | POLB (0.34) | — | |
| SCHEMBL30251693 | 0.85 | — | — | |
| SCHEMBL3457559 | 0.78 | — | — | |
| SCHEMBL560075 | 0.78 | — | — | |
| SCHEMBL9138450 | 0.76 | — | — | |
| SCHEMBL30489287 | 0.76 | — | — | |
| SCHEMBL9658993 | 0.74 | — | — | |
| SCHEMBL3817074 | 0.74 | HTT (0.45) | — | |
| SCHEMBL2314238 | 0.74 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109608464-A | A kind of radioiodination Larotrectinib compound and its preparation method and application | 上海健康医学院 | 2019-04-12 | — | — | CN | claimed |
| EP-0964865-B1 | PHARMACEUTICALLY ACTIVE TRICYCLIC AMINES | UPJOHN CO (US) | 2003-03-05 | — | — | EP | claimed |
| EP-0964865-A2 | PHARMACEUTICALLY ACTIVE TRICYCLIC AMINES | PHARMACIA & UPJOHN COMPANY (US) | 1999-12-22 | — | — | EP | claimed |
| US-5932728-A | ANTIHISTAMINES; ANTIALLERGENS | PHARMACIA & UPJOHN COMPANY (US) | 1999-08-03 | — | — | US | claimed |
| WO-1998042708-A2 | PHARMACEUTICALLY ACTIVE TRICYCLIC AMINES | PHARMACIA & UPJOHN COMPANY (US) | 1998-10-01 | — | — | WO | claimed |
| CN-109608464-A | A kind of radioiodination Larotrectinib compound and its preparation method and application | 上海健康医学院 | 2019-04-12 | — | — | CN | disclosed |
| EP-3439663-A1 | METHODS OF TREATING PEDIATRIC CANCERS | Loxo Oncology Inc. (US) | 2019-02-13 | — | — | EP | disclosed |
| WO-2017176744-A1 | METHODS OF TREATING PEDIATRIC CANCERS | LOXO ONCOLOGY, INC. (US) | 2017-10-12 | — | — | WO | disclosed |
| EP-3218380-A1 | CRYSTALLINE FORM OF (S)-N-(5-((R)-2-(2,5-DIFLUOROPHENYL)-PYRROLIDIN-1-YL)-PYRAZOLO[1,5-A]PYRIMIDIN-3-YL)-3-HYDROXYPYRROLIDINE-1-CARBOXAMIDE HYDROGEN SULFATE | Array Biopharma, Inc. (US) | 2017-09-20 | — | — | EP | disclosed |
| WO-2016077841-A1 | CRYSTALLINE FORM OF (S)-N-(5-((R)-2-(2,5-DIFLUOROPHENYL)-PYRROLIDIN-1-YL)-PYRAZOLO[1,5-A]PYRIMIDIN-3-YL)-3-HYDROXYPYRROLIDINE-1-CARBOXAMIDE HYDROGEN SULFATE | ARRAY BIOPHARMA, INC. (US) | 2016-05-19 | — | — | WO | disclosed |
| EP-0964865-A2 | PHARMACEUTICALLY ACTIVE TRICYCLIC AMINES | PHARMACIA & UPJOHN COMPANY (US) | 1999-12-22 | — | — | EP | disclosed |
| WO-1998042708-A2 | PHARMACEUTICALLY ACTIVE TRICYCLIC AMINES | PHARMACIA & UPJOHN COMPANY (US) | 1998-10-01 | — | — | WO | disclosed |